SCHEMBL7597804

SCHEMBL7597804

CCc1c(N)ccc(S(=O)(=O)O)c1CC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.41
AURKB Q96GD4 1/20 0.41
CTDSP1 Q9GZU7 1/20 0.40
TTR P02766 1/20 0.39
NQO1 P15559 1/20 0.35
HSD17B10 Q99714 5/20 0.34
HPGD P15428 2/20 0.34
LMNA P02545 1/20 0.34
HIF1A Q16665 1/20 0.34
ALDH1A1 P00352 5/20 0.33
TSHR P16473 2/20 0.33
NT5E P21589 1/20 0.33
CASP6 P55212 2/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
GAA P10253 3/20 0.32
KDM4E B2RXH2 2/20 0.32
MEN1 O00255 2/20 0.32
MAPT P10636 2/20 0.32
KMT2A Q03164 2/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL28444678 0.87 AURKA (0.40) AURKAAURKBCTDSP1TTRNQO1
Sulfuric Acid SCHEMBL1499856 0.86 ALDH1A1 (0.42) CTDSP1TTRHSD17B10HPGDLMNA
SCHEMBL8558806 0.85 AURKA (0.39) AURKAAURKBCTDSP1TTRNQO1
SCHEMBL6313825 0.84 GAA (0.40) LMNAALDH1A1CYP2C9GAAMAPT
Sulfuric Acid SCHEMBL28847019 0.84 ALDH1A1 (0.41) CTDSP1TTRHSD17B10HPGDLMNA
SCHEMBL2906795 0.83 TTR (0.55) AURKAAURKBCTDSP1TTRHSD17B10
SCHEMBL10954398 0.82 CA2 (0.42) ALDH1A1CYP2C9CYP2C19GAAKDM4E
SCHEMBL29055909 0.81 AURKA (0.36) AURKAAURKBCTDSP1TTRNQO1
SCHEMBL9582611 0.81 TRPV4 (0.37) GAACA2
SCHEMBL9822579 0.80 LMNA (0.36) CTDSP1HSD17B10HPGDLMNAHIF1A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110252395-A A kind of catalyst being used to prepare high-purity taurine and its application 湖北远大生命科学与技术有限责任公司 2019-09-20 CN claimed
CN-108779356-A ink 富士胶片株式会社 2018-11-09 CN claimed
CN-106120388-A High-fixation digital textile printing ink composition 台湾永光化学工业股份有限公司 2016-11-16 CN claimed
EP-1263899-A2 INKS Avecia Limited (GB) 2002-12-11 EP claimed
WO-2001062859-A2 INKS AVECIA LIMITED (GB) 2001-08-30 WO claimed
CN-108779356-B Printing ink 富士胶片株式会社 2021-07-02 CN disclosed
CN-110252395-A A kind of catalyst being used to prepare high-purity taurine and its application 湖北远大生命科学与技术有限责任公司 2019-09-20 CN disclosed
CN-108779356-A ink 富士胶片株式会社 2018-11-09 CN disclosed
CN-106120388-B High-fixation digital textile printing ink composition 台湾永光化学工业股份有限公司 2018-06-19 CN disclosed
CN-106120388-A High-fixation digital textile printing ink composition 台湾永光化学工业股份有限公司 2016-11-16 CN disclosed
EP-1263899-A2 INKS Avecia Limited (GB) 2002-12-11 EP disclosed
WO-2001062859-A2 INKS AVECIA LIMITED (GB) 2001-08-30 WO disclosed
EP-0130711-B1 AQUEOUS SOLUTIONS OF REACTIVE DYES ICI AMERICAS INC. (US) 1987-02-11 EP disclosed
EP-0130711-A2 Aqueous solutions of reactive dyes ICI AMERICAS INC. (US) 1985-01-09 EP disclosed
US-4472168-A STORAGE STABILITY BUFFERED SOLUTIONS ICI AMERICAS INC. (US) 1984-09-18 US disclosed